2-(1-azanyl-3-phenyl-propyl)phenol; (E)-but-2-enedioic acid

Systemtic Name: 2-(1-azanyl-3-phenyl-propyl)phenol; (E)-but-2-enedioic acid Openeye Name: 2-(1-amino-3-phenyl-propyl)phenol; fumaric acid CAS Name: 2-(1-amino-3-phenylpropyl)phenol; (E)-2-butenedioic acid IUPAC Name: 2-(1-amino-3-phenylpropyl)phenol; (E)-but-2-enedioic acid Traditional Name: 2-(1-amino-3-phenyl-propyl)phenol; fumaric acid Formula: C19H21NO5 MolecularWeight: 343.37374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C2=CC=CC=C2O)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C2=CC=CC=C2O)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17NO.C4H4O4/c16-14(13-8-4-5-9-15(13)17)11-10-12-6-2-1-3-7-12;5-3(6)1-2-4(7)8/h1-9,14,17H,10-11,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+